SCHEMBL28450545

SCHEMBL28450545

CCCCCCCCOc1c[nH]nn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.42
NR5A1 Q13285 1/20 0.39
SMPD1 P17405 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
TSHR P16473 2/20 0.35
PLA2G2A P14555 1/20 0.35
TP53 P04637 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4924571 0.92 CYP19A1 (0.41) SOAT1CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL4914943 0.86
SCHEMBL4618500 0.77
SCHEMBL11426040 0.73 NR5A1 (0.39) SOAT1NR5A1SMPD1CYP3A4CYP2D6
SCHEMBL245886 0.71 KCNH2 (0.47) CYP3A4CYP19A1TP53
SCHEMBL5023555 0.71 KCNH2 (0.47) CYP3A4CYP19A1TP53
SCHEMBL243705 0.71 KCNH2 (0.47) CYP3A4CYP19A1TP53
SCHEMBL245127 0.71 KCNH2 (0.47) CYP3A4CYP19A1TP53
SCHEMBL8583652 0.68 SOAT1 (0.51) SOAT1NR5A1TSHRTP53FAAH
SCHEMBL628308 0.68 KCNH2 (0.44) CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195596-B Branched organosilicon compounds, methods of making branched organosilicon compounds, and compositions comprising branched organosilicon compounds 美国陶氏有机硅公司 2023-02-28 CN disclosed
CN-113330054-B Branched organosilicon compounds, methods of making, and copolymers formed therewith 美国陶氏有机硅公司 2023-02-21 CN disclosed
CN-113166423-B Branched organosilicon compounds, method for producing branched organosilicon compounds, and compositions containing branched organosilicon compounds 美国陶氏有机硅公司 2023-02-17 CN disclosed
CN-111655227-A Methods and topical compositions for altering the skin microbiome 捷通国际有限公司 2020-09-11 CN disclosed